N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide

C22H24N2O3 — CID 9474033

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc3ccccc3n2)cc1OCC
InChIInChI=1S/C22H24N2O3/c1-3-26-20-12-9-16(15-21(20)27-4-2)13-14-23-22(25)19-11-10-17-7-5-6-8-18(17)24-19/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyPDYICGHBYCZARH-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.00
Rot. Bonds8

About N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide (PubChem CID 9474033) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide
PubChem CID9474033
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc3ccccc3n2)cc1OCC
InChIInChI=1S/C22H24N2O3/c1-3-26-20-12-9-16(15-21(20)27-4-2)13-14-23-22(25)19-11-10-17-7-5-6-8-18(17)24-19/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyPDYICGHBYCZARH-UHFFFAOYSA-N
XLogP4.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide (CID 9474033) is N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide is CCOc1ccc(CCNC(=O)c2ccc3ccccc3n2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide?
The InChIKey is PDYICGHBYCZARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-26-20-12-9-16(15-21(20)27-4-2)13-14-23-22(25)19-11-10-17-7-5-6-8-18(17)24-19/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 9474033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).